SCHEMBL17267635

SCHEMBL17267635

Nc1ncnc2c1c(I)nn2CCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.47
CDK1 P06493 2/20 0.47
ROS1 P08922 2/20 0.47
RPS6KB1 P23443 2/20 0.47
CDK2 P24941 2/20 0.47
CSNK1A1 P48729 2/20 0.47
CSNK1D P48730 2/20 0.47
CLK2 P49760 2/20 0.47
IRAK1 P51617 2/20 0.47
CDK5 Q00535 2/20 0.47
DYRK1A Q13627 2/20 0.47
NTRK3 Q16288 2/20 0.47
SLK Q9H2G2 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
JAK2 O60674 2/20 0.47
SRC P12931 2/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17267665 0.92 HDAC1 (0.47) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL19283001 0.91 HDAC1 (0.51) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL28912855 0.87 DYRK3 (0.42) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL16701486 0.83 BTK (0.47) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL868521 0.82 DYRK3 (0.51) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL17699298 0.81 SRC (0.45) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL16701523 0.81 ADK (0.49) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL17596825 0.80 HDAC1 (0.46) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL4572201 0.80 RET (0.48) DYRK3CDK1ROS1RPS6KB1CDK2
SCHEMBL14471387 0.79 SRC (0.64) SRCLCKFYNBLKHDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2947086-B1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2018-01-03 EP disclosed
EP-2947086-A1 NOVEL FUSED PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2015-11-25 EP disclosed